2-[4-[2-[4-(methyliminomethyl)phenoxy]ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C19H25N5O2S — CID 163450541

IUPAC2-[4-[2-[4-(methyliminomethyl)phenoxy]ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESC/N=C/c1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)cc1
InChIInChI=1S/C19H25N5O2S/c1-20-14-16-2-4-17(5-3-16)26-12-11-23-7-9-24(10-8-23)15-18(25)22-19-21-6-13-27-19/h2-6,13-14H,7-12,15H2,1H3,(H,21,22,25)/b20-14+
InChIKeyBGFICFHXSNQDNK-XSFVSMFZSA-N
MW387.51 g/mol
LogP1.83
Rot. Bonds8

About 2-[4-[2-[4-(methyliminomethyl)phenoxy]ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-[2-[4-(methyliminomethyl)phenoxy]ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 163450541) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[4-[2-[4-(methyliminomethyl)phenoxy]ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-[4-(methyliminomethyl)phenoxy]ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID163450541
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name2-[4-[2-[4-(methyliminomethyl)phenoxy]ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESC/N=C/c1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)cc1
InChIInChI=1S/C19H25N5O2S/c1-20-14-16-2-4-17(5-3-16)26-12-11-23-7-9-24(10-8-23)15-18(25)22-19-21-6-13-27-19/h2-6,13-14H,7-12,15H2,1H3,(H,21,22,25)/b20-14+
InChIKeyBGFICFHXSNQDNK-XSFVSMFZSA-N
XLogP1.83
TPSA70.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 18142778
2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 146131791
4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 2679212
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 9259187
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 51111757
N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 9259318
N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 171704376
2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95279659
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 78962803
2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110688880
2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 104976722
2-[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86945653

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(methyliminomethyl)phenoxy]ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[2-[4-(methyliminomethyl)phenoxy]ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 163450541) is 2-[4-[2-[4-(methyliminomethyl)phenoxy]ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[2-[4-(methyliminomethyl)phenoxy]ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[2-[4-(methyliminomethyl)phenoxy]ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is C/N=C/c1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)cc1.
What is the InChIKey of 2-[4-[2-[4-(methyliminomethyl)phenoxy]ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is BGFICFHXSNQDNK-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-20-14-16-2-4-17(5-3-16)26-12-11-23-7-9-24(10-8-23)15-18(25)22-19-21-6-13-27-19/h2-6,13-14H,7-12,15H2,1H3,(H,21,22,25)/b20-14+.
What are the key properties of 2-[4-[2-[4-(methyliminomethyl)phenoxy]ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[2-[4-(methyliminomethyl)phenoxy]ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 387.51 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(methyliminomethyl)phenoxy]ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 163450541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).